SCHEMBL6550985

SCHEMBL6550985

CC(C)(C)C(=O)C[S+]1CCCCC1.CC1(C)C2CCC1(CS(=O)(=O)[O-])C(=O)C2

nearest known ligand 0.49

Known targets — ChEMBL curated mechanism

CHRNA3CHRNB4

The experimentally established mechanism targets of None. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.49
KMT2A Q03164 2/20 0.46
F2 P00734 2/20 0.46
PRSS1 P07477 2/20 0.46
PRSS2 P07478 2/20 0.46
PRSS3 P35030 2/20 0.46
KDM4E B2RXH2 1/20 0.44
MEN1 O00255 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.42
LMNA P02545 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP2C19 P33261 1/20 0.41
CA1 P00915 6/20 0.41
CA2 P00918 6/20 0.41
CA5A P35218 6/20 0.41
CA5B Q9Y2D0 6/20 0.41
GAA P10253 1/20 0.40
PKM P14618 1/20 0.40
CXCR3 P49682 1/20 0.39

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL6549727 0.99 ALDH1A1 (0.50) ALDH1A1KMT2AF2PRSS1PRSS2
SCHEMBL6727946 0.91 ALDH1A1 (0.48) ALDH1A1KMT2AF2PRSS1PRSS2
SCHEMBL6731653 0.90 SMN1; SMN2 (0.50) ALDH1A1KMT2AF2PRSS1PRSS2
SCHEMBL6550409 0.90 ALDH1A1 (0.47) ALDH1A1KMT2AF2PRSS1PRSS2
SCHEMBL6549896 0.89 ALDH1A1 (0.50) ALDH1A1KMT2AF2PRSS1PRSS2
SCHEMBL6550776 0.89 KMT2A (0.49) ALDH1A1KMT2AF2PRSS1PRSS2
SCHEMBL6550605 0.88 ALDH1A1 (0.51) ALDH1A1KMT2AF2PRSS1PRSS2
SCHEMBL6551413 0.87 KMT2A (0.50) ALDH1A1KMT2AF2PRSS1PRSS2
SCHEMBL6551184 0.87 KMT2A (0.47) ALDH1A1KMT2AF2PRSS1PRSS2
SCHEMBL6551137 0.86 KDM4E (0.47) ALDH1A1KMT2AF2PRSS1PRSS2

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1167349-B1 Chemical amplifying type positive resist composition SUMITOMO CHEMICAL CO (JP) 2004-12-01 EP disclosed
US-20040224251-A1 Positive resist composition SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2004-11-11 US disclosed
US-6548220-B2 Containing acid generator SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2003-04-15 US disclosed
US-20020015913-A1 Chemical amplifying type positive resist composition and sulfonium salt SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2002-02-07 US disclosed
EP-1167349-A1 Chemical amplifying type positive resist composition and sulfonium salt SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2002-01-02 EP disclosed